2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H9Cl2N3OS MolecularWeight: 362.23316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC#N)Cl

InChI

InChI=1S/C16H9Cl2N3OS/c17-10-1-4-12(5-2-10)21-15(22)13-6-3-11(18)9-14(13)20-16(21)23-8-7-19/h1-6,9H,8H2